SCHEMBL8470487

SCHEMBL8470487

CCCC1CNCCN1CCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MITF O75030 1/20 0.31
APAF1 O14727 1/20 0.30
IDE P14735 1/20 0.30
GBA1 P04062 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9559695 0.90 TAAR1 (0.54) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7023461 0.89 TAAR1 (0.48) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL31397702 0.88 TAAR1 (0.45) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL366506 0.87 CA1 (0.42) TAAR1CA1CA2CA4CA9
SCHEMBL9559728 0.87 TAAR1 (0.49) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL11605380 0.87 TAAR1 (0.49) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9559747 0.86 TAAR1 (0.37) TAAR1CA1CA2CA4CA9
SCHEMBL28480031 0.84 TAAR1 (0.42) TAAR1CA1CA2CA4CA9
SCHEMBL9533106 0.83 CA1 (0.36) TAAR1CA1CA2CA4CA9
SCHEMBL294941 0.83 TAAR1 (0.44) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999061014-A2 COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS SEPRACOR INC. (US) 1999-12-02 WO disclosed